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Add FF classes for table potentials and pytorch models. #15

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chrisjonesBSU opened this issue Aug 24, 2023 · 0 comments
Open

Add FF classes for table potentials and pytorch models. #15

chrisjonesBSU opened this issue Aug 24, 2023 · 0 comments
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@marjanalbooyeh @chrisjonesBSU

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Lets make 2 new FF classes. One where you can create your forcefield from a set of table files (useful for using outputs of IBI/MSIBI) and one where you can create your forcefield from a pytorch model.
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Add custom forcefields
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@marjanalbooyeh @chrisjonesBSU